› 2h7x

X-ray diffraction
1.85Å resolution

Pikromycin Thioesterase adduct with reduced triketide affinity label

Released:
DOI: 10.2210/pdb2h7x/pdb
Model geometry
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PDB entry 2h7x coloured by chain, front view.
PDB entry 2h7x coloured by chain, side view.
PDB entry 2h7x coloured by chain, top view.
Source organism: Streptomyces venezuelae
Primary publication:
Structural and mechanistic insights into polyketide macrolactonization from polyketide-based affinity labels.
Giraldes JW, Akey DL, Kittendorf JD, Sherman DH, Smith JL, Fecik RA
Nat Chem Biol 2 531-6 (2006)
PMID: 16969373

Function and Biology Details

Reactions catalysed: 
Malonyl-CoA + 5 (2S)-methylmalonyl-CoA + 5 NADPH = 10-deoxymethynolide + 6 CoA + 6 CO(2) + 5 NADP(+) + 2 H(2)O
Malonyl-CoA + 6 (2S)-methylmalonyl-CoA + 5 NADPH = narbonolide + 7 CoA + 7 CO(2) + 5 NADP(+) + 2 H(2)O
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-195647 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pikromycin polyketide synthase component PikAIV Chains: A, B
Molecule details ›
Chains: A, B
Length: 319 amino acids
Theoretical weight: 33.79 KDa
Source organism: Streptomyces venezuelae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9ZGI2 (Residues: 1049-1346; Coverage: 22%)
Gene name: pikAIV
Sequence domains: Thioesterase domain
Structure domains: alpha/beta hydrolase

Ligands and Environments

4 bound ligands:
Ligand SO4 3 x SO4
Ligand MG 1 x MG
Ligand PSX 2 x PSX
Ligand DMS 2 x DMS
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21212
Unit cell:
a: 107.898Å b: 130.728Å c: 56.484Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.232
Expression system: Escherichia coli

Quick links

Citations

15 review citations

PKS and NRPS release mechanisms.
Du et al. (2010)
14 more

5 mentions without citation

Thioesterases: a new perspective based on their primary and tertiary structures.
Cantu et al. (2010)
4 more

PDB-REDO

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